7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C6H8FN3O2 — CID 142524255

IUPAC7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(F)C2)N1
InChIInChI=1S/C6H8FN3O2/c7-10-2-1-6(3-10)4(11)8-5(12)9-6/h1-3H2,(H2,8,9,11,12)
InChIKeyRKCGMRWNCQPTHX-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.85
Rot. Bonds

About 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 142524255) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID142524255
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(F)C2)N1
InChIInChI=1S/C6H8FN3O2/c7-10-2-1-6(3-10)4(11)8-5(12)9-6/h1-3H2,(H2,8,9,11,12)
InChIKeyRKCGMRWNCQPTHX-UHFFFAOYSA-N
XLogP-0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 142524255) is 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(F)C2)N1.
What is the InChIKey of 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RKCGMRWNCQPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-10-2-1-6(3-10)4(11)8-5(12)9-6/h1-3H2,(H2,8,9,11,12).
What are the key properties of 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 173.15 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 142524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).